(4S)-2-(5-chloranyl-2-methoxy-phenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(5-chloranyl-2-methoxy-phenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(5-chloro-2-methoxy-phenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(5-chloro-2-methoxyphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(5-chloro-2-methoxyphenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(5-chloro-2-methoxy-phenyl)-4-(2-hydroxyethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C19H17ClN2O4 MolecularWeight: 372.80228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCO

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCO

InChI

InChI=1S/C19H17ClN2O4/c1-26-17-7-6-12(20)10-16(17)22-18(24)14-5-3-2-4-13(14)15(19(22)25)11-21-8-9-23/h2-7,10-11,15,23H,8-9H2,1H3/t15-/m1/s1